Issue 0, 1980

Hybrid potential function for bound diatomic molecules

Abstract

We propose a hybrid extension of the Murrell–Sorbie analytic potential which has the correct long range behaviour at large R and is continuous and has a continuous first derivative at the boundary. The new form is shown to improve the accuracy of the unextended curve at the near equilibrium regions when tested against the spectroscopic RKR data.

Article information

Article type
Paper

J. Chem. Soc., Faraday Trans. 2, 1980,76, 129-135

Hybrid potential function for bound diatomic molecules

A. J. C. Varandas, J. Chem. Soc., Faraday Trans. 2, 1980, 76, 129 DOI: 10.1039/F29807600129

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